4-hexadecoxycarbonylphthalate

Systemtic Name: 4-hexadecoxycarbonylphthalate Openeye Name: 4-hexadecoxycarbonylphthalate CAS Name: 4-[hexadecoxy(oxo)methyl]phthalate IUPAC Name: 4-hexadecoxycarbonylphthalate Traditional Name: 4-cetyloxycarbonylphthalate Formula: C25H36O6-2 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H38O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-25(30)20-16-17-21(23(26)27)22(19-20)24(28)29/h16-17,19H,2-15,18H2,1H3,(H,26,27)(H,28,29)/p-2